SCHEMBL6589183

SCHEMBL6589183

CC(C)C(C)C[C@H](NC(=O)Oc1cc[nH]c1)C(=O)NC1C(=O)COC1CN1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.34
CTSL P07711 18/20 0.34
CTSS P25774 18/20 0.34
UTS2R Q9UKP6 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6591389 0.93 CTSL (0.33) CTSKCTSLCTSS
SCHEMBL6590302 0.90 CTSK (0.34) CTSKCTSLCTSSUTS2R
SCHEMBL6588510 0.89 CTSL (0.42) CTSKCTSLCTSS
SCHEMBL6591052 0.88 CTSL (0.46) CTSKCTSLCTSS
SCHEMBL6589490 0.88 CTSL (0.39) CTSKCTSLCTSS
SCHEMBL6591944 0.86 CTSL (0.35) CTSKCTSLCTSS
SCHEMBL6484342 0.86 CTSL (0.42) CTSKCTSLCTSS
SCHEMBL6590369 0.86 CTSL (0.41) CTSKCTSLCTSS
SCHEMBL6591250 0.86 CTSL (0.44) CTSKCTSLCTSSUTS2R
SCHEMBL6591380 0.85 CTSK (0.35) CTSKCTSLCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed